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Information card for entry 7151908
Preview
| Coordinates | 7151908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C50 H66 O6 |
|---|---|
| Calculated formula | C50 H66 O6 |
| SMILES | O(c1c2cc(cc1Cc1c(OC)c(cc(c1)C(C)(C)C)C(c1c(OC)c(cc(c1)C(C)(C)C)Cc1c(OC)c(cc(c1)C(C)(C)C)C2)C(=O)OC)C(C)(C)C)C |
| Title of publication | Bridge-substituted calix[4]arenes: syntheses, conformations and application. |
| Authors of publication | Fischer, Conrad; Gruber, Tobias; Seichter, Wilhelm; Weber, Edwin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 11 |
| Pages of publication | 4347 - 4352 |
| a | 12.6769 ± 0.0002 Å |
| b | 12.8446 ± 0.0002 Å |
| c | 14.6153 ± 0.0003 Å |
| α | 91.343 ± 0.001° |
| β | 94.061 ± 0.001° |
| γ | 106.217 ± 0.001° |
| Cell volume | 2277.06 ± 0.07 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1304 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151908.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7151908.cif |
| 180305 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/19. |
7151908.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151908.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151908.cif |
| 23731 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7151908, 7151909 via cif-deposit CGI script. |
7151908.cif |
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Users of the data should acknowledge the original authors of the
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